mobile chemistry and the scimobileapps wiki october 2011 version

www.chemconnector.com

Mobile Chemistry and the SciMobileApps Wiki

Antony Williams, PhDVersion: October 22nd 2011


Mobilizing Chemistry

We live in the time of “Generation App” Mobile devices, apps, cloud-based services and

databases provide “Chemistry in the Hand” Hundreds of apps for multiple mobile devices are

appearing: iOS (iPhone, iPads etc), Android, Blackberry etc.

Publishers deliver content, Databases provide mobile access and hand-based calculations are expanding in number and diversity

It’s not just Chemistry…Science has gone Mobile.. SciMobileApps Wiki indexes Mobile Science Apps


This Presentation….segregates

Publisher apps Accessing publications eBooks Theoretical chemistry Data and chemical dictionaries Chemical calculators Safety and Hazards Chemical Reactions Structure drawing apps Analytical chemistry Biomolecules


Scientific Publishers Apps

Scientific publishers release apps to: Provide mobile access to content Search and deliver content to its registered users

and engage other possible users Greater accessibility means greater readership Revenue generation UNLIKELY via sales of the

Apps themselves. Revenue comes from the content – you don’t pay a website, you pay for what’s contained in the website (the content)


ACS MobileiPod, iPhone, iPad and Android: http://tinyurl.com/6fssajt


Scientific Publisher Apps (Nature)http://www.nature.com/mobileapps/


SciVerse ScienceDirecthttp://tinyurl.com/3czq37y


Sciverse Scopushttp://www.info.sciverse.com/scopus


Science Apphttp://www.aaas.org/news/releases/2010/1108science_app.shtml


PNAShttp://tinyurl.com/3fm94op


Journal of Biological Chemistryhttp://tinyurl.com/3uzwaeb


RSC MobileiPod, iPhone & iPad: http://tinyurl.com/69phsms


Delivering Content to Apphttp://www.digitalpc.co.uk/mobile/


Accessing Publications

Various apps are available for accessing and searching across the literature CAS’ Scifinder Mobile Accessing PubMed

Apps are available for managing your own publication library – integrated to desktop applications Mendeley Papers


SciFinder Mobilehttp://www.cas.org/products/scifindr/sfmobile/


PubMed on TapiPhone and iPad: http://tinyurl.com/256zgnw


Managing Papershttp://www.mekentosj.com/papers/iphone/


Papershttp://www.mekentosj.com/papers/iphone/


Mendeley on iPhonehttp://tinyurl.com/3bv5g5m


eBooksiPad: http://tinyurl.com/yecg69d

Mobile devices are ideal platforms to deliver “books” with the capabilities of “apps”

An ideal example of what is possible with eBooks is Theodore Gray’s “The Elements”

An eBook with rotatable objects, 3D stereoscopic images, videos, linked to the Wolfram Alpha computational engine and even a song…


Wikipedia Chemistry


Theoretical Chemistry

Only a small number of theoretical chemistry apps are available


Atom in a BoxiPod, iPhone and iPad: http://tinyurl.com/69mht5f


MolsimiPod, iPhone and iPad: http://tinyurl.com/4yt7bn4


Data and Chemical Dictionaries

Apps are ideal for delivering reference data

Public domain data has been assembled into small collections and delivered via app interfaces

Data collections include Elements Lists of chemicals Drugs and Medications


Wikipedia Chemistryhttp://tinyurl.com/3t2hqzu


EleMintshttp://tinyurl.com/3pbuk7t


Chemistry DictionaryiOS: http://tinyurl.com/3lecqo3


Organic Compound BibleiPhone and iPad: http://tinyurl.com/6eyvckj


Drugs & Medications (A-Z)iOS: http://tinyurl.com/3dm95jw


Epocrateshttp://tinyurl.com/y7mjf5a


Chemical Calculators

Basic chemical calculations are simple to deliver Mass calculations Molarity Volume pH


LabCalProiPhone: http://tinyurl.com/3kj7yun


DailyCalcshttp://tinyurl.com/6yw7jro


Buffershttp://tinyurl.com/6k7vk9z


Chemical Safety and Hazards

Chemical safety data is simply data tables

Most safety/hazard data are public domain and simply rewrapped for app-based delivery


NIOSH Chemical HazardsiPhone and iPad: http://tinyurl.com/6xjdjqk


Chemical Reactions

Chemical reactions are very amenable to serving up on mobile applications

What is available now? Teaching basics of chemical reactions Look-ups against reaction databases Reaction mechanisms


Named Reactionshttp://www.synthetiqsolutions.com/named-reactions/


Organic Named Reactionshttp://tinyurl.com/3d54fvv


ReactionFlashhttp://tinyurl.com/3nt54w6


Reaction101http://molmatinf.com/reaction101.html


Yield 101http://molmatinf.com/yield101.html


Mobile Structure Drawing Apps

Why draw structures? Structure entry as an entry point to:

Calculations (formula, mass) Predictions (local or server-based)

Systematic name generation, logP, pKa, NMR prediction, etc.

Database lookup On device dictionaries (because space doesn’t

matter!) Internet-hosted databases (because the latest

content does matter)


Molpad on Androidhttp://tinyurl.com/4yzceyb


ChemMobihttp://tinyurl.com/3h4r2pf


ChemJuicehttp://tinyurl.com/43vrfzr

Linked toYouTube Content


Mobile Molecular DatasheetBlackberry: http://appworld.blackberry.com/webstore/content/10662


Mobile Molecular DatasheetiPhone:http://tinyurl.com/28ojyg4


MolPrimehttp://tinyurl.com/3plaghq


Green Solventshttp://molmatinf.com/greensolvents.html

A reference list of solvents, with auxiliary information about their health, safety and environmental malignancy.


ChemSpider Mobile


Analytical Chemistry

Various type of analytical science can be served: General capabilities

Spectral display Tables of constants

NMR Active nuclei, frequencies Chemical shift prediction

Mass Spectrometry Mass calculation:

Infrared Others….


Spectra in the hand


NMR IsotopesiPhone, iPod & iPad: http://tinyurl.com/44498hp


Mass Spectrometry: IsotopiaiPhone, iPod & iPad: http://tinyurl.com/3hb2t54


Accurate Mass TooliPhone, iPod & iPad: http://tinyurl.com/3cqvqfm


LabCalPlusIpad: http://tinyurl.com/3pbdyjv


Bioinformatics too…GenomePadhttp://tinyurl.com/3o5hdq5


Large Moleculeshttp://tinyurl.com/ylkl6pt


iKinase for iPadhttp://tinyurl.com/3t9oug7


iKinase for iPhonehttp://tinyurl.com/3kqhfln


Other Scientific Apps

There are an abundance of other scientific apps..

Physics Biology Medicine Mathematics Geology


Sourcing information about SciAppshttp://www.scimobileapps.com/

An explosion of Science Apps Different platforms, different versions How do you track them all? How do you search them? Where can developers post information about apps? iTunes does not segregate based on science! Introducing the SciMobileApps Wiki…


Why not use Wikipedia???

General listings of apps are strictly controlled…


The SciMobileApps Hosts

SciMobileApps is hosted for the community by two scientists interested in how Mobile Apps can contribute to the worlds of chemistry and Drug Discovery.

Antony Williams is a part of the online social network as ChemConnector on Wikipedia, on Twitter, on his Blog and on LinkedIn

Sean Ekins is a part of the online social network as CollabChem on Wikipedia, on Twitter, on his Blog and on LinkedIn


SciMobileApps Pages: Chemistry


SciMobileApps Wiki


SciMobile Apps Wiki


SciMobile Apps Wiki

Request account: Click for Link


Apps vs. Mobile Optimized Websites

Apps are resident and can run without internet access (provided they are not dependent on cloud-based content)

Support of apps on multiple devices can be resource intensive to support

Mobile Optimized Websites serve all devices, but there might still be some browser dependence

Can only work when there is internet access Likely cheaper to deploy and support – no

revenue sharing with “App Stores”


ChemSpider Website on Mobile


Reaction Database Look-uphttp://cssp.chemspider.com/


Other Resources

Smart Phones – A Powerful Tool in the Classroom Mobile chemistry - chemistry in your hands and in

your face Mobile apps for chemistry in the world of drug

discovery

Slideshare presentations Chemistry in the hand the delivery of structure

databases and spectroscopy gaming on mobile devices Chemistry in your hand using mobile devices to access

public chemistry compound data


Thank you

Twitter: ChemConnectorBlog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliamsSLIDES: www.slideshare.net/AntonyWilliams

mobile chemistry and the scimobileapps wiki october 2011 version

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